Found 2 results

Search term: QVHBBRWEQLPGLD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-(2-Deoxy-beta-D-threo-pentofuranosyl)-1,3,5-triazine-2,4(1H,3H)-dione | C8H11N3O5

1-(2-Deoxy-β-D-threo-pentofuranosyl)-1,3,5-triazine-2,4(1H,3H)-dione

  • Molecular FormulaC8H11N3O5
  • Average mass229.190 Da
  • Monoisotopic mass229.069870 Da
  • ChemSpider ID58781301

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(2-Deoxy-β-D-threo-pentofuranosyl)-1,3,5-triazine-2,4(1H,3H)-dione [ACD/IUPAC Name]
1-(2-Desoxy-β-D-threo-pentofuranosyl)-1,3,5-triazin-2,4(1H,3H)-dion [German] [ACD/IUPAC Name]
1-(2-Désoxy-β-D-thréo-pentofuranosyl)-1,3,5-triazine-2,4(1H,3H)-dione [French] [ACD/IUPAC Name]
1,3,5-Triazine-2,4(1H,3H)-dione, 1-(2-deoxy-β-D-threo-pentofuranosyl)- [ACD/Index Name]
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazine-2,4-dione
25501-08-0 [RN]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.9±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.754
    Molar Refractivity: 49.2±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -2.88
    ACD/LogD (pH 5.5): -1.92
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.13
    ACD/LogD (pH 7.4): -2.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.45
    Polar Surface Area: 111 Å2
    Polarizability: 19.5±0.5 10-24cm3
    Surface Tension: 88.8±7.0 dyne/cm
    Molar Volume: 120.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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